Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 1/20 | 0.47 |
| ▸ | ADH1C | P00326 | 1/20 | 0.47 |
| ▸ | ADH1A | P07327 | 1/20 | 0.47 |
| ▸ | ADH7 | P40394 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28944284 | 0.86 | ALDH1A1 (0.45) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL30703055 | 0.75 | ALDH1A1 (0.40) | HDAC1HDAC6CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL7449222 | 0.74 | ADH1B (0.52) | ADH1BADH1CADH1AADH7CYP2C19 | |
| SCHEMBL26983698 | 0.74 | CYP2C9 (0.60) | ADH1BADH1CADH1AADH7CYP2C19 | |
| SCHEMBL7449229 | 0.74 | ADH1B (0.52) | ADH1BADH1CADH1AADH7CYP2C19 | |
| SCHEMBL28831666 | 0.73 | GAA (0.45) | ADH1BADH1CADH1AADH7CYP2C19 | |
| SCHEMBL23620721 | 0.71 | ADH1B (0.48) | ADH1BADH1CADH1AADH7CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL1191360 | 0.71 | HDAC3 (0.60) | CES1HDAC3HDAC4HDAC1HDAC6 | |
| Trifluoroacetic Acid SCHEMBL27999393 | 0.71 | CES1 (0.53) | CES1HDAC3HDAC4HDAC1HDAC6 | |
| SCHEMBL20344487 | 0.70 | ADH1B (0.52) | ADH1BADH1CADH1AADH7CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114988975-A | Preparation method of beta-trifluoromethyl enamine compound based on organic dye catalysis | 江苏科技大学 | 2022-09-02 | — | — | CN | disclosed |